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Názov Chemical physics letters Vyd.údaje Amsterdam : Elsevier B.V. , 2018 ISSN 0009-26141873-4448 Form.deskr. časopisy - journals Roč., číslo Vol. 694 (2018) Jazyk dok. angličtina Krajina Holandsko Kategória publikačnej činnosti GII Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika ČLÁNKY 2018: Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data 
kniha
Názov Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data Aut.údaje V. Pershina, M. Iliaš Autor Pershina Valeria (1%)
Spoluautori Iliaš Miroslav 1975- (99%) UMBFP08 - Katedra chémie
Zdroj.dok. Chemical physics letters. Vol. 694 (2018), pp. 107-111. - Amsterdam : Elsevier B.V., 2018 Kľúč.slová elektrónová štruktúra elektrónové vlastnosti reaktivita - reaktivity volatilita Jazyk dok. angličtina Krajina Holandsko Systematika 54 Anotácia Properties of the MAu and MOH (M = Tl and element 113, Nh) molecules were calculated using the 2c- DFT method. The obtained data are needed for evaluation of reactivity of Nh studied by gas-phase chromatography experiments. Results show that Nh should be less reactive (or more volatile) than Tl, both with respect to gold and the hydroxyl group. The reason for that are strong relativistic effects on the valence 7s and 7p electron shells. In difference to the atoms, NhOH may be less volatile than TlOH due to its larger both dipole moment and anisotropic polarizability URL Link na plný text Kategória publikačnej činnosti ADC Číslo archívnej kópie 42181 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
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Názov Chemical physics letters Vyd.údaje Amsterdam : Elsevier B.V. , 2012 ISSN 0009-26141873-4448 Form.deskr. časopisy - journals Roč., číslo Vol. 546 (2012) Jazyk dok. angličtina Krajina Holandsko Kategória publikačnej činnosti GII Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika ČLÁNKY 2012: Dipole moment and polarizability of the low-lying excited states of uracil kniha
Názov Dipole moment and polarizability of the low-lying excited states of uracil Aut.údaje Tadeusz Pluta ... [et al.] Autor Pluta Tadeusz (25%)
Spoluautori Kolaski Maciej (25%)
Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Zdroj.dok. Chemical physics letters. Vol. 546 (2012), pp. 24-29. - Amsterdam : Elsevier B.V., 2012 Kľúč.slová uracil dipólový moment polarizovateľnosť excitované stavy dipole moment polarizability excited states Jazyk dok. angličtina Krajina Holandsko Systematika 54 Kategória publikačnej činnosti ADC Číslo archívnej kópie 23320 Kategória ohlasu ALPARONE, Andrea. Response electric properties of alpha-helix polyglycines : A CAM-B3LYP DFT investigation. In Chemical physics letters. ISSN 0009-2614, 2013, vol. 563, pp. 88-92.
ALPARONE, Andrea. Linear and nonlinear optical properties of nucleic acid bases. In Chemical physics. ISSN 0301-0104, 2013, vol. 410, pp. 90-98.
ALPARONE, A. Evolution of electric dipole (Hyper)polarizabilities of β-strand polyglycine single chains : an Ab initio and DFT theoretical study. In Journal of physical chemistry A. ISSN 1089-5639, 2013, vol. 117, no. 24, pp. 5184-5194.
ALPARONE, Andrea. Static and dynamic electronic (Hyper)polarizabilities of dimethylnaphthalene isomers : characterization of spatial contributions by density analysis. In Scientific world journal. ISSN 1537-744X, 2013, art. no. 832682, pp. 1-10.
SUN, Shuai - BROWN, Alex. Simulation of the resonance Raman spectrum for uracil. In Journal of physical chemistry A. ISSN 1089-5639, 2014, vol. 118, no. 39, pp. 9228-9238.
ALPARONE, Andrea. Theoretical study on the static and dynamic first-order hyperpolarisabilities of adenine tautomers. In Molecular physics. ISSN 0026-8976, 2014, vol. 112, no. 13, pp. 1755-1760.
ALPARONE, Andrea. Solvation effects on the static and dynamic first-order electronic and vibrational hyperpolarizabilities of uracil : a polarized continuum model investigation. In Scientific world journal. ISSN 1537-744X, 2013, art. no. 652124, pp. 1-8.
FRANZ, Jan - GIANTURCO, Franco A. - BACCARELLI, Isabella. Low-energy positron scattering from gas-phase uracil. In European physical journal D. ISSN 1434-6060, 2014, vol. 68, no. 7, art. no. 183, pp. 1-9.
ANDERSON, E. K. - BOADLE, R. A. - MACHACEK, J. R. - CHIARI, L. - MAKOCHEKANWA, C. - BUCKMAN, S. J. - BRUNGER, M. J. - GARCIA, G. - BLANCO, F. - INGOLFSSON, O. - SULLIVAN, J. P. Low energy positron interactions with uracil-total scattering, positronium formation, and differential elastic scattering cross sections. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 141, no. 3, pp. [1-9].
GRAF, Nora K. - FRIESE, Daniel H. - WINTER, Nina O. C. - HAETTIG, Christof. Excited state polarizabilities for CC2 using the resolution-of-the-identity approximation. In Journal of chemical physics. ISSN 0021-9606, 2015, vol. 143, no. 24.
HADJI, Djebar - RAHMOUNI, Ali. Molecular structure, linear and nonlinear optical properties of some cyclic phosphazenes : a theoretical investigation. In Journal of molecular structure. ISSN 0022-2860, 2016, vol. 1106, pp. 343-351.
MACHACEK, J. R. - BLANCO, F. - GARCIA, G. - BUCKMAN, S. J. - SULLIVAN, J. P. Regularities in positronium formation for atoms and molecules. In Journal of physics B : atomic molecular and optical physics. ISSN 0953-4075, 2016, vol. 49, no. 6.
NANDA, Kaushik D. - KRYLOV, Anna I. Static polarizabilities for excited states within the spin-conserving and spin-flipping equation-of-motion coupled-cluster singles and doubles formalism : theory, implementation, and benchmarks. In Journal of chemical physics. ISSN 0021-9606, 2016, vol. 145, no. 20, pp. [1-16].
MA, Yingjin - KNECHT, Stefan - REIHER, Markus. Multiconfigurational effects in theoretical resonance raman spectra. In ChemPhysChem. ISSN 1439-4235, 2017, vol. 18, no. 4, pp. 384-393.
LARA, A. - RIQUELME, M. - VOHRINGER-MARTINEZ, E. Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges. In Journal of computational chemistry. ISSN 0192-8651, 2018, vol. 39, no. 22, pp. 1728-1737.
RIQUELME, Maximilian - LARA, Alejandro - MOBLEY, David L. - VERSTRAELEN, Toon - MATAMALA, Adelio R. - VOHRINGER-MARTINEZ, Esteban. Hydration free energies in the FreeSolv database calculated with polarized iterative hirshfeld charges. In Journal of chemical information and modeling. ISSN 1549-9596, 2018, vol. 58, no. 9, pp. 1779-1797.
CHOLUJ, Marta - KOZLOWSKA, Justyna - BARTKOWIAK, Wojciech. Benchmarking DFT methods on linear and nonlinear electric properties of spatially confined molecules. In International journal of quantum chemistry. ISSN 0020-7608, 2018, vol. 118, no. 17.
KURONUMA, Makoto - SATO, Takehito - ARAKI, Yasuyuki - MORI, Tadashi - SAKAMOTO, Seiji - INOUE, Yoshihisa - ITO, Osamu - WADA, Takehiko. Transient circular dichroism measurement of the excited triplet state of pristine hexahelicene in solution at room temperature. In Chemistry letters. ISSN 0366-7022, 2019, vol. 48, no. 4, pp. 357-360.
KOZLOWSKA, Justyna - LIPKOWSKI, Pawel - ROZTOCZYNSKA, Agnieszka - BARTKOWIAK, Wojciech. DFT and spatial confinement : a benchmark study on the structural and electrical properties of hydrogen bonded complexes. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 31, pp. 17253-17273.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný
Názov Chemical physics letters Vyd.údaje Amsterdam : Elsevier B.V. , 2011 ISSN 0009-26141873-4448 Form.deskr. časopisy - journals Roč., číslo Vol. 515 no. 1-3 (2011) Jazyk dok. angličtina Krajina Holandsko Kategória publikačnej činnosti GII Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika ČLÁNKY 2011: Static NLO responses of fluorinated polyacetylene chains evaluated with long-range corrected density functionals kniha
Názov Static NLO responses of fluorinated polyacetylene chains evaluated with long-range corrected density functionals Aut.údaje Miroslav Medveď, Šimon Budzák, Tadeusz Pluta Autor Medveď Miroslav 1971- (40%) UMBFP08 - Katedra chémie
Spoluautori Budzák Šimon 1982- (30%) UMBFP08 - Katedra chémie
Pluta Tadeusz (30%)
Zdroj.dok. Chemical physics letters. Vol. 515, no. 1-3 (2011), pp. 78-84. - Amsterdam : Elsevier B.V., 2011 Kľúč.slová nelineárne optické vlastnosti oligoméry elektrónová delokalizácia asymetria monomérnej jednotky elektrónová korelácia nonlinear optical properties oligomers electron delocalization unit cell asymmetry electron correlation Jazyk dok. angličtina Krajina Holandsko Systematika 54 535 Kategória publikačnej činnosti ADC Číslo archívnej kópie 19744 Kategória ohlasu BARANOWSKA-LACZKOWSKA, Angelika - BARTKOWIAK, Wojciech - GORA, Robert W. et al. On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities ofconjugated molecules. In Journal of computational chemistry. ISSN 0192-8651, 2013, vol. 34, no. 10, pp. 819-826.
ALPARONE, Andrea. Response electric properties of alpha-helix polyglycines : a CAM-B3LYP DFT investigation. In Chemical physics letters. ISSN 0009-2614, 2013, vol. 563, pp. 88-92.
TOY, Mehmet - TANAK, Hasan. DFT quantum chemical studies on 1-[N-(2-pyridyl)aminomethylidene]-2(1H)-napphtalenone. In Journal of theoretical & computational chemistry. ISSN 0219-6336, 2012, vol. 11, no. 4, pp. 745-762.
ALPARONE, Andrea. Linear and nonlinear optical properties of nucleic acid bases. In Chemical physics. ISSN 0301-0104, 2013, vol. 410, pp. 90-98.
BULIK, I.W. - ZALEŚNY, R. - BARTKOWIAK, W. et al. Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. In Journal of computational chemistry. ISSN 0192-8651, 2013, vol. 34, no. 20, pp. 1775-1784.
ALPARONE, Andrea. Evolution of electric dipole (Hyper)polarizabilities of β-strand polyglycine single chains : an Ab initio and DFT theoretical study. In Journal of physical chemistry A. ISSN 1089-5639, 2013, vol. 117, no. 24, pp. 5184-5194.
TANAK, Hasan - TOY, Mehmet. Molecular structure, vibrational spectra, NLO and MEP analysis of bis[2-hydroxy-kappa O-N-(2-pyridyl)-1-naphthaldiminato-kappa N]zinc(II). In Spectrochimica acta part A-molecular and biomolecular sperctroscopy. ISSN 1386-1425, 2013, vol. 115, pp. 145-153.
BEDNARSKA, Joanna - ROZTOCZYNSKA, Agnieszka - BARTKOWIAK, Wojciech - ZALESNY, Robert. Comparative assessment of density functionals for excited-state dipole moments. In Chemical physics letters. ISSN 0009-2614, 2013, vol. 584, pp. 58-62.
TANAK, Hasan - AGAR, Aysen Alaman - BUYUKGUNGOR, Orhan. Combined experimental and DFT computational studies on (E)-1-(5-nitrothiophen-2-yl)-N-[4-(trifluoromethyl)phenyl] methanimine. In Journal of molecular structure. ISSN 0022-2860, 2013, vol. 1048, pp. 41-50.
ALPARONE, Andrea. Second harmonic generation and electro-optical Pockels effect of 1-and 3-nitro-6-azabenzo[a]pyrene N-oxide isomers: A Hartree-Fock and Coulomb-attenuating density functional theory investigation. In Journal of chemical sciences. ISSN 0974-3626, 2014, vol. 126, no. 3, pp. 701-710.
VARGAS, Jorge - SPRINGBORG, Michael - KIRTMAN, Bernard. Electronic responses of long chains to electrostatic fields : Hartree-Fock vs. density-functional theory: A model study. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 140, no. 5, art. no. 054117.
ALPARONE, Andrea. Theoretical study on the static and dynamic first-order hyperpolarisabilities of adenine tautomers. In Molecular physics. ISSN 0026-8976, 2014, vol. 112, no. 13, pp. 1755-1760.
TANAK, Hasan. Molecular structure, spectroscopic (FT-IR and UV-Vis) and DFT quantum-chemical studies on 2-[(2,4-Dimethylphenyl)iminomethyl]-6-methylphenol. In Molecular physics. ISSN 0026-8976, 2014, vol. 112, no. 11, pp. 1553-1565.
ALPARONE, Andrea. Solvation effects on the static and dynamic first-order electronic and vibrational hyperpolarizabilities of uracil : a polarized continuum model investigation. In The scientific world journal. ISSN 1537-744X, 2013, art. no. 652124, pp. 1-7.
ALPARONE, Andrea. Static and dynamic electronic (hyper)polarizabilities of dimethylnaphthalene isomers : characterization of spatial contributions by density analysis. In The scientific world journal. ISSN 1537-744X, 2013, art. no. 832682, pp. 1-9.
LICARI, Giuseppe - BREVET, Pierre-Francois - VAUTHEY, Eric. Fluorescent DNA probes at liquid/liquid interfaces studied by surface second harmonic generation. In Physical chemistry chemical physics. ISSN 1463-9076, 2016, vol. 18, no. 4, pp. 2981-2992.
TSIPIS, Athanassios C. Interaction of elemental mercury with a diverse series of pi-organic substrates probed by computational methods : is mercury fixation possible? In ACS earth and space chemistry. ISSN 2472-3452, 2018, vol. 2, no. 5, special no., pp. 451-+.
KODIKARA, Mahesh S. - STRANGER, Robert - HUMPHREY, Mark G. Computational studies of the nonlinear optical properties of organometallic complexes. In Coordination chemistry reviews. ISSN 0010-8545, 2018, vol. 375, special no., pp. 389-409.
BULATOV, V. Yu - SMIRNOV, M. B. - SUKHOMLINOV, S. V. Modelling of dielectric properties of non-linear optic materials based on linear molecules. In Journal of physics : conference series : 21st Russian youth conference on physics of semiconductors and nanostructures, opto- and nanoelectronics (RYCPS 2019), St. Petersburg, 25th-29th November 2019. ISSN 1742-6588, 2020, vol. 1482, no. 1, pp. 1-5.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný
Názov Chemical physics letters Vyd.údaje Amsterdam : Elsevier B.V. , 2009 ISSN 0009-26141873-4448 Form.deskr. časopisy - journals Roč., číslo Vol. 478 no. 4-6 (2009) Jazyk dok. angličtina Krajina Holandsko Kategória publikačnej činnosti GII Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika ČLÁNKY 2009: Electron transfer from all-trans beta-carotene to the t-butyl peroxyl radical at low oxygen pressure kniha
Názov Electron transfer from all-trans beta-carotene to the t-butyl peroxyl radical at low oxygen pressure (an EPR spectroscopy and computational study) Aut.údaje Klaudia Jómová ... [et al.] Autor Jómová Klaudia (22%)
Ďalší autori Kyseľ Ondrej 1937- (Autor) (22%)
Madden J. C. (Autor) (5%)
Morris H. (Autor) (5%)
Enoch S. J. (Autor) (5%)
Budzák Šimon 1982- (Autor) (15%) UMBFP08 - Katedra chémie
Young A. J. (Autor) (5%)
Cronin M. T. D. (Autor) (5%)
Mazúr Milan (Autor) (8%)
Valko Marián (Autor) (8%)
Zdroj.dok. Chemical physics letters. Vol. 478, no. 4-6 (2009), pp. 266-270. - Amsterdam : Elsevier B.V., 2009 Kľúč.slová betakarotén t-butylperoxyl prenos elektrónu beta-carotene t-butyl peroxyl electron transfer Jazyk dok. angličtina Krajina Holandsko Systematika 54 Kategória publikačnej činnosti ADC Číslo archívnej kópie 12688 Kategória ohlasu RODRIGUES, Eliseu - MARIUTTI, Lilian R.B. - FARIA, Adelia F. - MERCADANTE, Adriana Z. Microcapsules containing antioxidant molecules as scavengers of reactive oxygen and nitrogen species. In Food chemistry. ISSN 0308-8146, 2012, vol. 134, no. 2, pp. 704-711.
ZHOU, Yu-Ting - YIN, Jun-Jie - LO, Y. Martin. Application of ESR spin label oximetry in food science. In Magnetic resonance in chemistry. ISSN 0749-1581, 2011, vol. 49, special no., pp. S105-S112.
BIETTI, Massimo - DILABIO, Gino A. - LANZALUNGA, Osvaldo - SALAMONE, Michela. Time-resolved kinetic study of the electron-transfer reactions between ring-substituted cumyloxyl radicals and alkylferrocenes : evidence for an inner-sphere mechanism. In Journal of organic chemistry. ISSN 0022-3263, 2011, vol. 76, no. 6, pp. 1789-1794.
GUO, Jian-Jhih - HU, Ching-Han. Mechanism of chain termination in lipid peroxidation by carotenes : a theoretical study. In Jounal of physical chemistry B. ISSN 1520-6106, 2010, vol. 114, no. 50, pp. 16948-16958.a
BIETTI, Massimo - DILABIO, Gino A. - LANZALUNGA, Osvaldo - SALAMONE, Michela. Electron transfer properties of alkoxyl radicals. A time-resolved kinetic study of the reactions of the tert-butoxyl, cumyloxyl, and benzyloxyl radicals with alkyl ferrocenes. In Jounal of organic chemistry. ISSN 0022-3263, 2010, vol. 75, no. 17, pp. 5875-5881.
LIAO, Fu-Xing - HU, Ching-Han. A density functional theory study for the role of end groups on the antioxidative potency of carotenoids. In Theoretical chemistry accounts. ISSN 1432-881X, 2013, vol. 132, no. 5, pp. 1-13.
RODRIGUES, Eliseu - MARIUTTI, Lilian R. B. - MERCADANTE, Adriana Z. Carotenoids and phenolic compounds from solanum sessiliflorum, an unexploited amazonian fruit, and their scavenging capacities against reactive oxygen and nitrogen species. In Journal of agricultural and food chemistry. ISSN 0021-8561, 2013, vol. 61, no. 12, pp. 3022-3029.
RODRIGUES, Eliseu - MARIUTTI, Lilian R.B. - CHISTE, Renan C. - MERCADANTE, Adriana Z. Development of a novel micro-assay for evaluation of peroxyl radical scavenger capacity : application to carotenoids and structure-activity relationship. In Food chemistry. ISSN 0308-8146, 2012, vol. 135, no. 3, pp. 2103-2111.
KOUL, Ashwani - SHUBRANT - GUPTA, Prachi. Phytomodulatory potential of lycopene from Lycopersicum esculentum against doxorubicin induced nephrotoxicity. In Indian journal of experimental biology. ISSN 0019-5189, 2013, vol. 51, no. 8, pp. 635-645.
CHISTE, Renan Campos - FREITAS, Marisa - MERCADANTE, Adriana Zerlotti - FERNANDES, Eduarda. Carotenoids inhibit lipid peroxidation and hemoglobin oxidation, but not the depletion of glutathione induced by ROS in human erythrocytes. In Life sciences. ISSN 0024-3205, 2014, vol. 99, no. 1-2, pp. 52-60.
CHISTE, Renan C. - FREITAS, Marisa - MERCADANTE, Adriana Z. - FERNANDES, Eduarda. Carotenoids are effective inhibitors of in vitro hemolysis of human erythrocytes, as determined by a practical and optimized cellular antioxidant assay. In Journal of food science. ISSN 0022-1147, 2014, vol. 79, no. 9, pp. H1841-H1847.
CHEN, Shau-Jiun - HUANG, Li-Yen - HU, Ching-Han. Antioxidative reaction of carotenes against peroxidation of fatty acids initiated by nitrogen dioxide : a theoretical study. In Journal of physical chemistry B. ISSN 1520-6106, 2015, vol. 119, no. 30, pp. 9640-9650.
ODORISSI XAVIER, Ana Augusta - PEREZ-GALVEZ, Antonio. Carotenoids as a source of antioxidants in the diet. In Carotenoids in nature : biosynthesis, regulation and function. New York : Springer, 2016. Vol. 79. ISBN 978-3-319-39126-7, pp. 359-375.
BOESS, Esther - WOLF, Larry M. - MALAKAR, Santanu - SALAMONE, Michela - BIETTI, Massimo - THIEL, Walter - KLUSSMANN, Martin. Competitive hydrogen atom transfer to oxyl- and peroxyl radicals in the Cu-catalyzed oxidative coupling of N-aryl tetrahydroisoquinolines using tert-butyl hydroperoxide. In ACS catalysis. ISSN 2155-5435, 2016, vol. 6, no. 5, pp. 3253-3261.
RUBIO, Virginia - GARCIA-PEREZ, Ana I. - CRISTINA TEJEDOR, M. - HERRAEZ, Angel - DIEZ, Jose C. Esculetin neutralises cytotoxicity of t-BHP but not of H2O2 on human leukaemia NB4 cells. In BioMed research international. ISSN 2314-6133, 2017, vol. 2017, art. no. 9491045, pp. 1-9.
MONEGO, Debora Luana - DA ROSA, Marcelo Barcellos - DO NASCIMENTO, Paulo Cicero. Applications of computational chemistry to the study of the antiradical activity of carotenoids : a review. In Food chemistry. ISSN 0308-8146, 2017, vol. 217, pp. 37-44.
PARHAM, Joshua D. - WIJERATNE, Gayan B. - RICE, Derek B. - JACKSON, Timothy A. Spectroscopic and structural characterization of Mn(III)-alkylperoxo complexes supported by pentadentate amide-containing ligands. In Inorganic chemistry. ISSN 0020-1669, 2018, vol. 57, no. 5, pp. 2489-2502.
PEREZ-GALVEZ, Antonio - VIERA, Isabel - ROCA, Maria. Carotenoids and chlorophylls as antioxidants. In Antioxidants. ISSN 2076-3921, 2020, vol. 9, no. 6, pp. 1-34.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný
Názov Chemical physics letters Vyd.údaje Amsterdam : Elsevier B.V. , 2005 ISSN 0009-26141873-4448 Form.deskr. časopisy - journals Roč., číslo Vol. 408 no. 4-6 (2005) Jazyk dok. angličtina Krajina Holandsko Kategória publikačnej činnosti GII Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika ČLÁNKY 2005: Theoretical study of PbO and the PbO anion kniha
Názov Theoretical study of PbO and the PbO anion Súbež.n. Teoretická štúdia PbO a PbO aniónu Aut.údaje Miroslav Iliaš ... [et al.] Autor Iliaš Miroslav 1975- (40%) UMBFP08 - Katedra chémie
Spoluautori Jensen Hans Jorgen Aagaard (15%)
Kellö Vladimír (15%)
Roos Björn O.
Urban Miroslav
Zdroj.dok. Chemical physics letters. Vol. 408, no. 4-6 (2005), pp. 210-215. - Amsterdam : Elsevier B.V., 2005 Kľúč.slová PbO anion relativistic effects correlation effects Jazyk dok. angličtina Krajina Holandsko Systematika 54 Anotácia PbO and PbO- were studied utilizing CCSD(T), CASSCF/CASPT2, and the Fock Space FSCCSD methods Kategória publikačnej činnosti ADC Číslo archívnej kópie 22447 Kategória ohlasu LAURY, Marie L. - WILSON, Angela K. Examining the heavy p-block with a pseudopotential-based composite method : atomic and molecular applications of rp-ccCA. In Journal of chemical physics. ISSN 0021-9606, 2012, vol. 137, no. 21, article no. 214111.
LI, Zhendong - XIAO, Yunlong - LIU, Wenjian. On the spin separation of algebraic two-component relativistic Hamiltonians. In Journal of chemical physics. ISSN 0021-9606, 2012, vol. 137, no. 15, article no. 154114.
ZOU, Wenli - FILATOV, Michael - CREMER, Dieter. Development, implementation, and application of an analytic second derivative formalism for the normalized elimination of the small component method. In Journal of chemical theory and computation. ISSN 1549-9618, 2012, vol. 8, no. 8, pp. 2617-2629.
AUTSCHBACH, Jochen. Perspective : relativistic effects. In Journal of chemical physics. ISSN 0021-9606, 2012, vol. 136, no. 15, article no. 150902.
BORSCHEVSKY, Anastasia - ZELOVICH, Tamar - ELIAV, Ephraim - KALDOR, Uzi. Precision of calculated static polarizabilities : Ga, In and Tl atoms. In Chemical physics. ISSN 0301-0104, 2012, vol. 395, pp. 104-107.
WANG, Dongqi - VAN GUNSTEREN, Wilfred F. - CHAI, Zhifang. Recent advances in computational actinoid chemistry. In Chemical society reviews. ISSN 0306-0012, 2012, vol. 41, no. 17, pp. 5836-5865.
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